3-Amino-2,6-dichlorophenol

CAT: 0926-DBA16563-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-DBA16563-01Size:1 g

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CAS Number

28165-63-1

MDL Number

MFCD14455917

Smiles

C1=CC (=C (C (=C1N) Cl) O) Cl

Molecular Formula

C6H5Cl2NO

Molecular Weight

178.01 g/mol

Controlled

Chemical Information

3-Amino-2,6-dichlorophenol

CAS Number	28165-63-1
PubChem CID	22392581
IUPAC Name	3-amino-2,6-dichlorophenol
Molecular Formula	C6H5Cl2NO
Molecular Weight	178.01
XLogP	2.5
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1=CC(=C(C(=C1N)Cl)O)Cl

InChI

InChI=1S/C6H5Cl2NO/c7-3-1-2-4(9)5(8)6(3)10/h1-2,10H,9H2

InChIKey

NMYVUWQZPPDNPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28165-63-1

CID: 22392581

Formula: C6H5Cl2NO

MW: 178.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.01
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.9748192
Monoisotopic Mass	176.9748192
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FA70348-01	6-Amino-2,4-dichlorophenol
NCA86291-01	2-Bromo-3,6-dichlorophenol
FD70102	2,6-Dichlorophenol
DBA44357	2-Amino-4,5-dichlorophenol
FA58353-01	4-Amino-3,5-dichlorophenol
FA50745-01	5-Amino-2,4-dichlorophenol
EAA52477	2-Bromo-4,6-dichlorophenol
ICA57967-01	(2-Amino-3,6-dichlorophenyl) methanol
FD70372-01	2,4-Dichlorophenol-6-sulphonyl chloride
EBC87054-01	2- (Aminomethyl) -4,6-dichlorophenol hydrochloride